ChemSpider 2D Image | 2-[1-(2,5-Dimethoxyphenyl)-7-methyl-3,9-dioxo-3,9-dihydrochromeno[2,3-c]pyrrol-2(1H)-yl]-N,N-diethylethanaminium | C26H31N2O5

2-[1-(2,5-Dimethoxyphenyl)-7-methyl-3,9-dioxo-3,9-dihydrochromeno[2,3-c]pyrrol-2(1H)-yl]-N,N-diethylethanaminium

  • Molecular FormulaC26H31N2O5
  • Average mass451.534 Da
  • Monoisotopic mass451.222748 Da
  • ChemSpider ID24811150

  • Charge - Charge

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

[1]Benzopyrano[2,3-c]pyrrole-3,9-dione, 2-[2-(diethylamino)ethyl]-1-(2,5-dimethoxyphenyl)-1,2-dihydro-7-methyl-, conjugate monoacid [ACD/Index Name]
2-[1-(2,5-Dimethoxyphenyl)-7-methyl-3,9-dioxo-3,9-dihydrochromeno[2,3-c]pyrrol-2(1H)-yl]-N,N-diethylethanaminium [ACD/IUPAC Name]
2-[1-(2,5-Dimethoxyphenyl)-7-methyl-3,9-dioxo-3,9-dihydrochromeno[2,3-c]pyrrol-2(1H)-yl]-N,N-diethylethanaminium [German] [ACD/IUPAC Name]
2-[1-(2,5-Diméthoxyphényl)-7-méthyl-3,9-dioxo-3,9-dihydrochroméno[2,3-c]pyrrol-2(1H)-yl]-N,N-diéthyléthanaminium [French] [ACD/IUPAC Name]
ZINC11614764

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density:
Boiling Point: 624.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.5±3.0 kJ/mol
Flash Point: 331.7±31.5 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.06
ACD/LogD (pH 5.5): 0.49
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.73
ACD/LogD (pH 7.4): 1.18
ACD/BCF (pH 7.4): 1.24
ACD/KOC (pH 7.4): 8.51
Polar Surface Area: 70 Å2
Polarizability:
Surface Tension:
Molar Volume:

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